N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1488 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(methanesulfonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C22 H34 N4 O4 S |
| Smiles: | CS(N1CCCC(CCNC(CC1)=O)C(NCCN1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.028 |
| logD: | -0.4644 |
| logSw: | -2.2363 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.967 |
| InChI Key: | CTCHHZQIOATCEM-IBGZPJMESA-N |